| Project | RUN | System | Guest | Microstate | CLONE | Person | dG1 (kT) | dG1 sigma (kT) | dG3 (kT) | dG3 sigma (kT) | dG_binding (RT) | dG_binding sigma (RT) | log10Kd | log10Kd sigma | RL WL-increment | ns of RL simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 18433 | 40 | RL_10 | G11 | 1 | 0 | Julie | 6.42 | 0.0 | -102.21 | 3.08 | -12.33 | 3.14 | -5.36 | 1.36 | 0.0099 | 420.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 1 | Julie | 6.42 | 0.0 | -102.40 | 4.64 | -12.26 | 4.65 | -5.33 | 2.02 | 0.0193 | 170.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 2 | Julie | 6.42 | 0.0 | -102.56 | 3.09 | -12.42 | 3.10 | -5.39 | 1.34 | 0.0124 | 460.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 3 | Julie | 6.42 | 0.0 | -102.11 | 3.70 | -11.98 | 3.71 | -5.20 | 1.61 | 0.0155 | 240.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 4 | Julie | 6.42 | 0.0 | -101.69 | 3.32 | -11.44 | 3.33 | -4.97 | 1.45 | 0.0124 | 310.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 5 | Julie | 6.42 | 0.0 | -102.25 | 3.58 | -12.00 | 3.59 | -5.21 | 1.56 | 0.0193 | 260.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 6 | Julie | 6.42 | 0.0 | -101.47 | 3.53 | -11.34 | 3.54 | -4.92 | 1.54 | 0.0155 | 400.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 7 | Julie | 6.42 | 0.0 | -102.71 | 3.08 | -12.51 | 3.09 | -5.43 | 1.34 | 0.0079 | 510.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 8 | Julie | 6.42 | 0.0 | -102.70 | 3.52 | -12.50 | 3.53 | -5.43 | 1.53 | 0.0193 | 400.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 9 | Julie | 6.42 | 0.0 | -103.52 | 3.15 | -13.37 | 3.15 | -5.81 | 1.37 | 0.0193 | 200.4 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 10 | Julie | 6.42 | 0.0 | -101.95 | 3.68 | -11.63 | 3.68 | -5.05 | 1.60 | 0.0242 | 370.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 11 | Julie | 6.42 | 0.0 | -102.33 | 2.62 | -12.13 | 2.63 | -5.27 | 1.14 | 0.0124 | 300.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 12 | Julie | 6.42 | 0.0 | -101.64 | 3.26 | -11.47 | 3.27 | -4.98 | 1.42 | 0.0124 | 380.2 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 13 | Julie | 6.42 | 0.0 | -102.31 | 3.20 | -12.11 | 3.22 | -5.26 | 1.40 | 0.0155 | 520.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 14 | Julie | 6.42 | 0.0 | -102.78 | 2.61 | -12.68 | 2.62 | -5.51 | 1.14 | 0.0099 | 430.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 15 | Julie | 6.42 | 0.0 | -101.98 | 4.01 | -11.69 | 4.01 | -5.08 | 1.74 | 0.0155 | 340.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 16 | Julie | 6.42 | 0.0 | -102.48 | 3.64 | -12.28 | 3.65 | -5.34 | 1.58 | 0.0124 | 280.1 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 17 | Julie | 6.42 | 0.0 | -102.85 | 3.28 | -12.70 | 3.29 | -5.51 | 1.43 | 0.0124 | 230.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 18 | Julie | 6.42 | 0.0 | -102.84 | 3.32 | -12.67 | 3.32 | -5.50 | 1.44 | 0.0193 | 240.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 19 | Julie | 6.42 | 0.0 | -101.93 | 3.53 | -11.81 | 3.54 | -5.13 | 1.54 | 0.0124 | 290.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 20 | Julie | 6.42 | 0.0 | -101.09 | 4.16 | -10.88 | 4.16 | -4.73 | 1.81 | 0.0155 | 370.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 21 | Julie | 6.42 | 0.0 | -102.23 | 4.18 | -12.02 | 4.19 | -5.22 | 1.82 | 0.0242 | 310.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 22 | Julie | 6.42 | 0.0 | -102.42 | 3.54 | -12.13 | 3.55 | -5.27 | 1.54 | 0.0155 | 430.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 23 | Julie | 6.42 | 0.0 | -102.07 | 3.50 | -11.99 | 3.50 | -5.21 | 1.52 | 0.0155 | 300.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 24 | Julie | 6.42 | 0.0 | -102.68 | 2.98 | -12.38 | 2.99 | -5.38 | 1.30 | 0.0155 | 370.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 25 | Julie | 6.42 | 0.0 | -102.35 | 3.72 | -12.20 | 3.73 | -5.30 | 1.62 | 0.0155 | 320.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 26 | Julie | 6.42 | 0.0 | -102.23 | 3.66 | -12.08 | 3.67 | -5.25 | 1.59 | 0.0124 | 330.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 27 | Julie | 6.42 | 0.0 | -102.84 | 3.00 | -12.53 | 3.02 | -5.44 | 1.31 | 0.0099 | 420.15 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 28 | Julie | 6.42 | 0.0 | -102.32 | 3.22 | -12.04 | 3.22 | -5.23 | 1.40 | 0.0155 | 340.1 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 29 | Julie | 6.42 | 0.0 | -102.27 | 3.38 | -12.09 | 3.40 | -5.25 | 1.48 | 0.0193 | 320.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 30 | Julie | 6.42 | 0.0 | -102.56 | 3.24 | -12.26 | 3.24 | -5.33 | 1.41 | 0.0242 | 170.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 31 | Julie | 6.42 | 0.0 | -101.76 | 4.16 | -11.62 | 4.17 | -5.05 | 1.81 | 0.0193 | 320.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 32 | Julie | 6.42 | 0.0 | -101.07 | 3.85 | -10.85 | 3.86 | -4.71 | 1.67 | 0.0124 | 380.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 33 | Julie | 6.42 | 0.0 | -102.21 | 3.28 | -11.96 | 3.28 | -5.20 | 1.43 | 0.0079 | 510.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 34 | Julie | 6.42 | 0.0 | -103.00 | 3.21 | -12.75 | 3.22 | -5.54 | 1.40 | 0.0193 | 270.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 35 | Julie | 6.42 | 0.0 | -103.59 | 2.96 | -13.37 | 2.96 | -5.81 | 1.29 | 0.0155 | 260.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 36 | Julie | 6.42 | 0.0 | -102.12 | 3.19 | -11.83 | 3.20 | -5.14 | 1.39 | 0.0124 | 320.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 37 | Julie | 6.42 | 0.0 | -102.40 | 3.49 | -12.07 | 3.51 | -5.24 | 1.52 | 0.0155 | 260.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 38 | Julie | 6.42 | 0.0 | -102.43 | 4.00 | -12.29 | 4.02 | -5.34 | 1.74 | 0.0193 | 440.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 39 | Julie | 6.42 | 0.0 | -102.44 | 3.27 | -12.19 | 3.28 | -5.29 | 1.42 | 0.0193 | 240.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 40 | Julie | 6.42 | 0.0 | -100.35 | 4.13 | -10.14 | 4.14 | -4.40 | 1.80 | 0.0193 | 310.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 41 | Julie | 6.42 | 0.0 | -101.72 | 3.42 | -11.59 | 3.42 | -5.03 | 1.49 | 0.0193 | 360.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 42 | Julie | 6.42 | 0.0 | -102.44 | 3.62 | -12.14 | 3.63 | -5.27 | 1.58 | 0.0193 | 230.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 43 | Julie | 6.42 | 0.0 | -102.56 | 3.17 | -12.50 | 3.17 | -5.43 | 1.38 | 0.0155 | 350.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 44 | Julie | 6.42 | 0.0 | -101.62 | 2.69 | -11.45 | 2.69 | -4.97 | 1.17 | 0.0124 | 230.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 45 | Julie | 6.42 | 0.0 | -101.98 | 3.45 | -11.81 | 3.46 | -5.13 | 1.50 | 0.0155 | 440.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 46 | Julie | 6.42 | 0.0 | -102.57 | 3.30 | -12.36 | 3.30 | -5.37 | 1.44 | 0.0155 | 370.1 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 47 | Julie | 6.42 | 0.0 | -102.97 | 3.16 | -12.73 | 3.18 | -5.53 | 1.38 | 0.0155 | 210.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 48 | Julie | 6.42 | 0.0 | -101.65 | 4.32 | -11.34 | 4.33 | -4.93 | 1.88 | 0.0193 | 260.0 | True |
| 18433 | 40 | RL_10 | G11 | 1 | 49 | Julie | 6.42 | 0.0 | -101.25 | 4.18 | -11.10 | 4.19 | -4.82 | 1.82 | 0.0242 | 370.0 | True |
| Project | RUN | System | Guest | Microstate | CLONE | Person | dG2 (kT) | dG2 sigma (kT) | L WL-increment | ns of L simulation | Included |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 18434 | 19 | L | G11 | 1 | 0 | Julie | 83.46 | 0.61 | 0.0302 | 30.0 | True |
| 18434 | 19 | L | G11 | 1 | 1 | Julie | 83.72 | 0.31 | 0.0003 | 110.0 | True |
| 18434 | 19 | L | G11 | 1 | 2 | Julie | 83.73 | 0.25 | 0.0000 | 270.0 | True |
| 18434 | 19 | L | G11 | 1 | 3 | Julie | 83.72 | 0.27 | 0.0000 | 250.35 | True |
| 18434 | 19 | L | G11 | 1 | 4 | Julie | 83.84 | 0.26 | 0.0002 | 180.05 | True |
| 18434 | 19 | L | G11 | 1 | 5 | Julie | 83.83 | 0.28 | 0.0002 | 160.0 | True |
| 18434 | 19 | L | G11 | 1 | 6 | Julie | 83.72 | 0.31 | 0.0001 | 220.3 | True |
| 18434 | 19 | L | G11 | 1 | 7 | Julie | 83.79 | 0.22 | 0.0000 | 240.0 | True |
| 18434 | 19 | L | G11 | 1 | 8 | Julie | 83.79 | 0.21 | 0.0000 | 277.0 | True |
| 18434 | 19 | L | G11 | 1 | 9 | Julie | 83.73 | 0.21 | 0.0000 | 232.6 | True |
| 18434 | 19 | L | G11 | 1 | 10 | Julie | 83.91 | 0.22 | 0.0001 | 240.0 | True |
| 18434 | 19 | L | G11 | 1 | 11 | Julie | 83.78 | 0.28 | 0.0007 | 140.0 | True |
| 18434 | 19 | L | G11 | 1 | 12 | Julie | 83.75 | 0.25 | 0.0000 | 239.25 | True |
| 18434 | 19 | L | G11 | 1 | 13 | Julie | 83.78 | 0.26 | 0.0000 | 220.0 | True |
| 18434 | 19 | L | G11 | 1 | 14 | Julie | 83.69 | 0.16 | 0.0000 | 250.15 | True |
| 18434 | 19 | L | G11 | 1 | 15 | Julie | 83.87 | 0.24 | 0.0000 | 294.45 | True |
| 18434 | 19 | L | G11 | 1 | 16 | Julie | 83.78 | 0.20 | 0.0000 | 220.0 | True |
| 18434 | 19 | L | G11 | 1 | 17 | Julie | 83.73 | 0.29 | 0.0001 | 220.1 | True |
| 18434 | 19 | L | G11 | 1 | 18 | Julie | 83.75 | 0.20 | 0.0000 | 254.65 | True |
| 18434 | 19 | L | G11 | 1 | 19 | Julie | 83.71 | 0.21 | 0.0000 | 282.8 | True |
| 18434 | 19 | L | G11 | 1 | 20 | Julie | 83.79 | 0.21 | 0.0002 | 160.4 | True |
| 18434 | 19 | L | G11 | 1 | 21 | Julie | 83.80 | 0.23 | 0.0001 | 180.0 | True |
| 18434 | 19 | L | G11 | 1 | 22 | Julie | 83.86 | 0.30 | 0.0007 | 140.0 | True |
| 18434 | 19 | L | G11 | 1 | 23 | Julie | 83.67 | 0.18 | 0.0000 | 251.5 | True |
| 18434 | 19 | L | G11 | 1 | 24 | Julie | 83.88 | 0.20 | 0.0000 | 270.05 | True |
| 18434 | 19 | L | G11 | 1 | 25 | Julie | 83.74 | 0.29 | 0.0009 | 130.0 | True |
| 18434 | 19 | L | G11 | 1 | 26 | Julie | 83.74 | 0.21 | 0.0003 | 170.0 | True |
| 18434 | 19 | L | G11 | 1 | 27 | Julie | 83.90 | 0.36 | 0.0003 | 150.15 | True |
| 18434 | 19 | L | G11 | 1 | 28 | Julie | 83.86 | 0.19 | 0.0000 | 278.45 | True |
| 18434 | 19 | L | G11 | 1 | 29 | Julie | 83.76 | 0.39 | 0.0007 | 130.0 | True |
| 18434 | 19 | L | G11 | 1 | 30 | Julie | 83.88 | 0.21 | 0.0000 | 229.1 | True |
| 18434 | 19 | L | G11 | 1 | 31 | Julie | 83.73 | 0.27 | 0.0000 | 240.05 | True |
| 18434 | 19 | L | G11 | 1 | 32 | Julie | 83.80 | 0.25 | 0.0000 | 200.05 | True |
| 18434 | 19 | L | G11 | 1 | 33 | Julie | 83.83 | 0.15 | 0.0000 | 279.95 | True |
| 18434 | 19 | L | G11 | 1 | 34 | Julie | 83.83 | 0.21 | 0.0000 | 240.0 | True |
| 18434 | 19 | L | G11 | 1 | 35 | Julie | 83.81 | 0.23 | 0.0002 | 140.0 | True |
| 18434 | 19 | L | G11 | 1 | 36 | Julie | 83.87 | 0.22 | 0.0000 | 250.1 | True |
| 18434 | 19 | L | G11 | 1 | 37 | Julie | 83.91 | 0.38 | 0.0013 | 90.0 | True |
| 18434 | 19 | L | G11 | 1 | 38 | Julie | 83.72 | 0.35 | 0.0007 | 130.15 | True |
| 18434 | 19 | L | G11 | 1 | 39 | Julie | 83.83 | 0.26 | 0.0001 | 200.1 | True |
| 18434 | 19 | L | G11 | 1 | 40 | Julie | 83.79 | 0.28 | 0.0000 | 230.0 | True |
| 18434 | 19 | L | G11 | 1 | 41 | Julie | 83.72 | 0.22 | 0.0003 | 120.0 | True |
| 18434 | 19 | L | G11 | 1 | 42 | Julie | 83.89 | 0.30 | 0.0002 | 200.0 | True |
| 18434 | 19 | L | G11 | 1 | 43 | Julie | 83.64 | 0.19 | 0.0000 | 263.55 | True |
| 18434 | 19 | L | G11 | 1 | 44 | Julie | 83.76 | 0.15 | 0.0000 | 242.7 | True |
| 18434 | 19 | L | G11 | 1 | 45 | Julie | 83.75 | 0.27 | 0.0002 | 190.2 | True |
| 18434 | 19 | L | G11 | 1 | 46 | Julie | 83.80 | 0.21 | 0.0000 | 210.95 | True |
| 18434 | 19 | L | G11 | 1 | 47 | Julie | 83.83 | 0.29 | 0.0002 | 170.0 | True |
| 18434 | 19 | L | G11 | 1 | 48 | Julie | 83.89 | 0.27 | 0.0002 | 190.0 | True |
| 18434 | 19 | L | G11 | 1 | 49 | Julie | 83.73 | 0.21 | 0.0000 | 240.1 | True |